Mol:FL7AAAGL0075
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
115126 0 0 0 0 0 0 0 0999 V2000
8.9838 0.2247 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2693 0.6372 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2693 1.4622 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5548 0.2247 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9838 1.8747 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5548 1.8747 -2.5960 O 0 3 0 0 0 6 0 0 0 0 0 0
6.8403 0.6372 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1926 -3.3602 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.1258 0.2247 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1926 -4.1851 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4781 -2.9477 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6982 3.1122 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.0351 -4.3419 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.4781 -7.8977 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5535 2.8919 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1410 3.6070 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5535 4.3222 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3159 3.6070 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.5535 5.7526 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1410 6.4678 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3784 5.7526 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.6152 -2.5132 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.3296 -0.5094 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6152 -0.9218 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8242 -1.7199 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7038 -0.7192 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8287 -3.3101 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3296 -2.9257 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1097 -2.1324 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8962 -2.9293 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5175 1.6245 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7434 1.6919 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1559 0.9775 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9539 1.1866 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7471 0.9775 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3347 1.6919 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5367 1.4829 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5373 0.6032 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9465 1.4784 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3309 0.9775 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 2.1974 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6315 6.9975 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2336 7.5800 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6200 6.9108 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1229 7.1231 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8705 6.9108 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2571 7.5800 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5140 7.3677 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9945 7.5613 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 7.8977 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0509 7.3673 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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2 4 2 0
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5 10 2 0
6 11 1 0
7 11 2 0
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10 16 1 0
11 17 1 0
12 18 2 0
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13 21 1 0
15 22 1 0
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50 51 2 0
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63 64 1 1
65 64 1 1
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100 99 1 1
100101 1 0
101102 1 0
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107108 1 0
108109 1 1
109110 1 1
111110 1 1
111112 1 0
112107 1 0
107113 1 0
112114 1 0
110106 1 0
111115 1 0
41106 1 0
108 43 1 0
54 88 1 0
M CHG 1 6 1
S SKP 9
AUTODRAW FALSE
ID FL7AAAGL0075
KNApSAcK_ID C00014801
NAME
CAS_RN 270062-81-2
FORMULA C72H77O41
EXACTMASS 1597.394026966
AVERAGEMASS 1598.35718
SMILES O=C(OCC(O7)C(O)C(O)C(O)C7Oc(c%12)ccc(c%12)C(O9)=C(C(=O)c(c(O)%10)c9cc(OC(C(O)%11)OCC(O)C%11O)c%10)OC(C8O)OC(C(C8O)O)CO)CCC(OCC(O1)C(C(C(C1Oc(c6)cc(O)c(c62)cc(OC(C5O)OC(C(C(O)5)O)COC(C([H])=C([H])c(c4)ccc(c4)O)=O)c(c(c3)cc(O)c(O)c(O)3)[o+1]2)O)O)O)=O
M END
